awacke1 commited on
Commit
0382306
·
1 Parent(s): 1a77346

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +13 -1
app.py CHANGED
@@ -6,5 +6,17 @@ from PIL import Image
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  compound_smiles = 'c1cc(C(=O)O)c(OC(=O)C)cc1'
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  m = Chem.MolFromSmiles(compound_smiles)
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  im=Draw.MolToImage(m)
 
 
 
 
 
 
 
 
 
 
 
 
 
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- st.image(im)
 
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  compound_smiles = 'c1cc(C(=O)O)c(OC(=O)C)cc1'
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  m = Chem.MolFromSmiles(compound_smiles)
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  im=Draw.MolToImage(m)
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+ st.image(im)
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+
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+
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+ def MakeMolecule(name, ingredients):
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+ st.write(name)
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+ m = Chem.MolFromSmiles(ingredients)
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+ im=Draw.MolToImage(m)
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+ st.image(im)
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+
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+ MakeMolecule("Ethanol", "CCO")
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+ MakeMolecule("Acetic acid", "CC(=O)O")
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+ MakeMolecule("Cyclohexane", "C1CCCCC1")
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+ MakeMolecule("Pyridine", "c1cnccc1")
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